4-N-decyl-6-methylpyrimidine-2,4-diamine

C15H28N4 — CID 80855252

IUPAC4-N-decyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCCCCCCCNc1cc(C)nc(N)n1
InChIInChI=1S/C15H28N4/c1-3-4-5-6-7-8-9-10-11-17-14-12-13(2)18-15(16)19-14/h12H,3-11H2,1-2H3,(H3,16,17,18,19)
InChIKeyFPBSZUMPOGWVQR-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.92
Rot. Bonds10

About 4-N-decyl-6-methylpyrimidine-2,4-diamine

4-N-decyl-6-methylpyrimidine-2,4-diamine (PubChem CID 80855252) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-decyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-decyl-6-methylpyrimidine-2,4-diamine
PubChem CID80855252
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-decyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCCCCCCCNc1cc(C)nc(N)n1
InChIInChI=1S/C15H28N4/c1-3-4-5-6-7-8-9-10-11-17-14-12-13(2)18-15(16)19-14/h12H,3-11H2,1-2H3,(H3,16,17,18,19)
InChIKeyFPBSZUMPOGWVQR-UHFFFAOYSA-N
XLogP3.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018

Frequently Asked Questions

What is the IUPAC name of 4-N-decyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-decyl-6-methylpyrimidine-2,4-diamine (CID 80855252) is 4-N-decyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-decyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-decyl-6-methylpyrimidine-2,4-diamine is CCCCCCCCCCNc1cc(C)nc(N)n1.
What is the InChIKey of 4-N-decyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is FPBSZUMPOGWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-4-5-6-7-8-9-10-11-17-14-12-13(2)18-15(16)19-14/h12H,3-11H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-decyl-6-methylpyrimidine-2,4-diamine?
4-N-decyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-decyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80855252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).